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Cobalt in PDB 6rug: Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr

Enzymatic activity of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr

All present enzymatic activity of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr:
3.4.21.64;

Protein crystallography data

The structure of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr, PDB code: 6rug was solved by J.Breibeck, A.Bijelic, A.Rompel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 1.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.860, 67.860, 102.300, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 15.5

Other elements in 6rug:

The structure of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr also contains other interesting chemical elements:

Tungsten (W) 22 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr (pdb code 6rug). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr, PDB code: 6rug:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in 6rug

Go back to Cobalt Binding Sites List in 6rug
Cobalt binding site 1 out of 2 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co301

b:8.4
occ:0.88
CO1 A:WCO301 0.0 8.4 0.9
O76 A:WCO301 2.1 9.3 0.9
O A:HOH478 2.1 9.2 1.0
O77 A:WCO301 2.1 9.5 0.9
O75 A:WCO301 2.1 10.1 0.9
O78 A:WCO301 2.1 9.5 0.9
O61 A:WCO301 2.4 8.7 0.9
W18 A:WCO301 3.3 9.3 0.9
W17 A:WCO301 3.3 9.9 0.9
HG3 A:MET55 3.5 10.3 1.0
P2 A:WCO301 3.5 8.5 0.9
W13 A:WCO301 3.6 9.9 0.9
O55 A:WCO301 3.6 9.9 0.9
W12 A:WCO301 3.6 9.6 0.9
HA A:ARG64 3.6 10.5 1.0
O41 A:WCO301 3.7 9.9 0.9
HG2 A:MET55 3.7 10.3 1.0
O57 A:WCO301 3.8 9.4 0.9
O60 A:WCO301 3.8 9.2 0.9
O53 A:WCO301 3.8 10.4 0.9
O59 A:WCO301 3.9 9.5 0.9
O A:HOH613 3.9 10.1 1.0
CG A:MET55 4.0 8.6 1.0
H A:ALA44 4.0 8.9 1.0
O A:ILE42 4.1 7.6 1.0
O A:SER63 4.3 8.5 1.0
HB2 A:SER63 4.3 11.6 1.0
O45 A:WCO301 4.4 9.4 0.9
HB2 A:ALA44 4.4 9.3 1.0
O46 A:WCO301 4.5 9.7 0.9
CA A:ARG64 4.5 8.7 1.0
C A:SER63 4.5 8.8 1.0
HA A:GLU43 4.5 9.4 1.0
HB2 A:MET55 4.6 10.3 1.0
HB3 A:SER63 4.6 11.6 1.0
N A:ARG64 4.6 8.6 1.0
O40 A:WCO301 4.7 9.8 0.9
O42 A:WCO301 4.7 9.8 0.9
O56 A:WCO301 4.7 9.4 0.9
O54 A:WCO301 4.7 10.7 0.9
HB2 A:ARG64 4.8 11.9 1.0
O66 A:WCO301 4.8 10.0 0.9
O67 A:WCO301 4.8 9.8 0.9
O62 A:WCO301 4.9 9.4 0.9
N A:ALA44 4.9 7.5 1.0
CB A:SER63 4.9 9.7 1.0
CB A:MET55 4.9 8.6 1.0
H A:ASP65 4.9 9.6 1.0
W16 A:WCO301 5.0 10.6 0.9

Cobalt binding site 2 out of 2 in 6rug

Go back to Cobalt Binding Sites List in 6rug
Cobalt binding site 2 out of 2 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co302

b:20.0
occ:0.33
CO1 A:WCO302 0.0 20.0 0.3
OD2 A:ASP207 1.7 15.8 1.0
O76 A:WCO302 2.1 21.9 0.3
O77 A:WCO302 2.1 18.9 0.3
O78 A:WCO302 2.1 18.7 0.3
O75 A:WCO302 2.2 21.2 0.3
O61 A:WCO302 2.4 19.1 0.3
CG A:ASP207 2.8 13.0 1.0
W18 A:WCO302 3.3 17.6 0.3
P2 A:WCO302 3.3 20.4 0.3
W17 A:WCO302 3.4 17.7 0.3
OD1 A:ASP207 3.5 14.5 1.0
O55 A:WCO302 3.6 19.0 0.3
W13 A:WCO302 3.6 22.8 0.3
W12 A:WCO302 3.7 20.9 0.3
O41 A:WCO302 3.7 22.4 0.3
HG21 A:THR206 3.8 10.6 1.0
O59 A:WCO302 3.8 20.1 0.3
O60 A:WCO302 3.8 21.9 0.3
HB2 A:ASP207 3.8 11.9 1.0
O57 A:WCO302 3.8 17.4 0.3
HE A:ARG185 3.8 14.5 1.0
CB A:ASP207 3.8 9.9 1.0
O53 A:WCO302 3.9 20.1 0.3
HH22 A:ARG185 3.9 16.0 1.0
HB3 A:ASP207 4.1 11.9 1.0
O46 A:WCO302 4.4 19.0 0.3
O45 A:WCO302 4.4 22.4 0.3
CG2 A:THR206 4.5 8.8 1.0
O A:HOH552 4.6 8.8 1.0
HG23 A:THR206 4.6 10.6 1.0
O A:HOH655 4.6 38.5 1.0
O42 A:WCO302 4.6 23.1 0.3
NE A:ARG185 4.7 12.1 1.0
O62 A:WCO302 4.7 20.3 0.3
O40 A:WCO302 4.7 21.6 0.3
O56 A:WCO302 4.7 18.7 0.3
NH2 A:ARG185 4.7 13.4 1.0
HG22 A:THR206 4.7 10.6 1.0
O67 A:WCO302 4.8 19.6 0.3
O54 A:WCO302 4.8 19.7 0.3
O66 A:WCO302 4.8 19.4 0.3
W19 A:WCO302 4.9 16.4 0.3
W16 A:WCO302 4.9 20.5 0.3

Reference:

J.Breibeck, A.Bijelic, A.Rompel. Transition Metal-Substituted Keggin Polyoxotungstates Enabling Covalent Attachment to Proteinase K Upon Co-Crystallization. Chem.Commun.(Camb.) V. 55 11519 2019.
ISSN: ESSN 1364-548X
PubMed: 31490500
DOI: 10.1039/C9CC05818D
Page generated: Sun Dec 13 10:51:37 2020

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